1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene

C20H28 — CID 23286470

IUPAC1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene
SMILESC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C=CCC1(C)C
InChIInChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-14H,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
InChIKeyAJTAWULMWBMRKK-JWBAUCAFSA-N
MW268.44 g/mol
LogP6.31
Rot. Bonds4

About 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene

1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene (PubChem CID 23286470) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene
PubChem CID23286470
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene
SMILESC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C=CCC1(C)C
InChIInChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-14H,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
InChIKeyAJTAWULMWBMRKK-JWBAUCAFSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Humulene
CID 5281520
Axerophthene
CID 5287722
(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
(E,E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
CID 6443227
1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
CID 10581
1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
Cyclohexene, 1,5,5-trimethyl-6-methylene-
CID 578237
2,6,6,9-Tetramethyl-cycloundeca-1,4,8-triene
CID 6508206
beta-Pyronene
CID 228342
(6E,8E)-4,6,8-Megastigmatriene
CID 5369483
(1E,4E,8Z)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
CID 6187145
1,5,8-p-Menthatriene
CID 527424

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene?
The IUPAC name of 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene (CID 23286470) is 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene?
The canonical SMILES for 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene is C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C=CCC1(C)C.
What is the InChIKey of 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene?
The InChIKey is AJTAWULMWBMRKK-JWBAUCAFSA-N. The full InChI is InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-14H,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+.
What are the key properties of 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene?
1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene has a molecular weight of 268.44 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E,5E,7E)-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,6,6-trimethylcyclohexa-1,3-diene is sourced from PubChem (CID 23286470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).